이름: 5-fluoro-isoindole-1,3-dione
SMILES:
O=C1NC(=O)c2cc(F)ccc21Molecular Processing
Molecular formula
C8H4FNO2
Molecular weight
165.12
Exact mass
165.0226
XLogP
0.71
TPSA
46.17
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
38.2
Supplementary Information
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